2-Naphthyl Isothiocyanate

Molecule SVG Image

Properties Simple | Detailed

Formula C11H7NS
IUPAC Name 2-isothiocyanatonaphthalene
Molecular Mass 185.245 g·mol−1
Heat of Formation 325.4 ± 16.7 kJ·mol−1
Dipole Moment 4.10 ± 1.08 D
Volume 217.42 Å 3
Surface Area 218.3 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry Cs
Synonyms
  • .beta.-naphthyl isothiocyanate
  • 2-isocyanatonaphthalene
  • 2-isothiocyanonaphthalene
  • 2-naphthylisothiocyanate
  • beta-naphthyl isothiocyanate
  • beta-naphthylisothiocyanate
  • isothiocyanic acid, 2-naphthyl ester
  • isothiocyanic acid, 2-naphthyl ester (8ci)
  • naphthalene, 2-isothiocyanato-
  • naphthalene, 2-isothiocyanato- (9ci)
CAS Number(s)
  • 1636-33-5
InChIKey RTMXPNYHPHIDHX-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C N